6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one

C12H14O — CID 130036633

IUPAC6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one
SMILESC=C1CCC(=O)C2C3C=CC(C3)C12
InChIInChI=1S/C12H14O/c1-7-2-5-10(13)12-9-4-3-8(6-9)11(7)12/h3-4,8-9,11-12H,1-2,5-6H2
InChIKeyGZFLMZGYAKXVOP-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.34
Rot. Bonds

About 6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one

6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one (PubChem CID 130036633) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one.

Molecular Properties

Compound Name6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one
PubChem CID130036633
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one
SMILESC=C1CCC(=O)C2C3C=CC(C3)C12
InChIInChI=1S/C12H14O/c1-7-2-5-10(13)12-9-4-3-8(6-9)11(7)12/h3-4,8-9,11-12H,1-2,5-6H2
InChIKeyGZFLMZGYAKXVOP-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4S,5R,8S,9S,11S,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 11889790
(2S,4S,5S,8S,9R,11R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 132540584
(1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-3-one
CID 122234156
(1R,2S,3S,4S,7S,8R,10S,11R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one
CID 98478068
(1S,2R,6S,7R)-4-[2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 99722784
(1R,2R,6R,7S)-4-[2-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 11860892
(1R,2S,6R,7S)-4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6541657
(1R,2S,6S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 135037907
(1R,2S,6R,7R)-4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124833190
pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene-10,12-dione
CID 20720524
4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 5067256
(1R,2R,7R,8R)-4,5-dichlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 18556027

Frequently Asked Questions

What is the IUPAC name of 6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one?
The IUPAC name of 6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one (CID 130036633) is 6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one.
What is the SMILES notation for 6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one?
The canonical SMILES for 6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one is C=C1CCC(=O)C2C3C=CC(C3)C12.
What is the InChIKey of 6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one?
The InChIKey is GZFLMZGYAKXVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-7-2-5-10(13)12-9-4-3-8(6-9)11(7)12/h3-4,8-9,11-12H,1-2,5-6H2.
What are the key properties of 6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one?
6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one has a molecular weight of 174.24 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidenetricyclo[6.2.1.02,7]undec-9-en-3-one is sourced from PubChem (CID 130036633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).